1.0 2016-06-03 13:10:07 UTC 2026-03-26 20:47:16 UTC [7(S)-(1α,.2β,4β,5α,7β)]-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl (hydroxymethyl)phenylacetate SmallMolecule [7(S)-(1α,.2β,4β,5α,7β)]-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl (hydroxymethyl)phenylacetate belongs to the beta hydroxy acids and derivatives, a subclass of hydroxy acids and derivatives within the organic compounds. This organic compound has the formula C16H19NO4 and an average molecular weight of 289.33 g/mol. It has been recorded in drinking water and water supply sources, with oral exposure being the recorded route of exposure. C16H19NO4 289.331 289.131408096 (1R,2R,4S,5S)-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-7-yl (2S)-3-hydroxy-2-phenylpropanoate (1R,2R,4S,5S)-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-7-yl (2S)-3-hydroxy-2-phenylpropanoate 4684-28-0 [H][C@](CO)(C(=O)OC1([H])C[C@@]2([H])N[C@@]([H])(C1)[C@]1([H])O[C@]21[H])C1=CC=CC=C1 InChI=1S/C16H19NO4/c18-8-11(9-4-2-1-3-5-9)16(19)20-10-6-12-14-15(21-14)13(7-10)17-12/h1-5,10-15,17-18H,6-8H2/t10?,11-,12-,13+,14-,15+/m1/s1 MOYZEMOPQDTDHA-YQYZCKNZSA-N Organic compounds Organic acids and derivatives Hydroxy acids and derivatives Beta hydroxy acids and derivatives Beta hydroxy acids and derivatives Amino acids and derivatives Azacyclic compounds Benzene and substituted derivatives Carbonyl compounds Carboxylic acid esters Dialkyl ethers Dialkylamines Epoxides Hydrocarbon derivatives Monocarboxylic acids and derivatives Morpholines Organic oxides Organopnictogen compounds Oxacyclic compounds Piperidines Primary alcohols Pyrrolidines Alcohol Amine Amino acid or derivatives Aromatic heteropolycyclic compound Azacycle Benzenoid Beta-hydroxy acid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Ether Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Morpholine Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxazinane Oxirane Piperidine Primary alcohol Pyrrolidine Secondary aliphatic amine Secondary amine Aromatic heteropolycyclic compounds Detected and Not Quantified logp 0.35 ALOGPS logs -2.01 ALOGPS solubility 2.84e+00 g/l ALOGPS logp 0.51 ChemAxon pka_strongest_acidic 15.15 ChemAxon pka_strongest_basic 8.82 ChemAxon iupac (1R,2R,4S,5S)-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-7-yl (2S)-3-hydroxy-2-phenylpropanoate ChemAxon average_mass 289.331 ChemAxon mono_mass 289.131408096 ChemAxon smiles [H][C@](CO)(C(=O)OC1([H])C[C@@]2([H])N[C@@]([H])(C1)[C@]1([H])O[C@]21[H])C1=CC=CC=C1 ChemAxon formula C16H19NO4 ChemAxon inchi InChI=1S/C16H19NO4/c18-8-11(9-4-2-1-3-5-9)16(19)20-10-6-12-14-15(21-14)13(7-10)17-12/h1-5,10-15,17-18H,6-8H2/t10?,11-,12-,13+,14-,15+/m1/s1 ChemAxon inchikey MOYZEMOPQDTDHA-YQYZCKNZSA-N ChemAxon polar_surface_area 71.09 ChemAxon refractivity 74.43 ChemAxon polarizability 29.65 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72254bf8e0> 92989 8599681